CID 75481390

Tert-butyl n-(3-amino-2,2-difluoropropyl)carbamate

Structural Information

Molecular Formula
C8H16F2N2O2
SMILES
CC(C)(C)OC(=O)NCC(CN)(F)F
InChI
InChI=1S/C8H16F2N2O2/c1-7(2,3)14-6(13)12-5-8(9,10)4-11/h4-5,11H2,1-3H3,(H,12,13)
InChIKey
NKSNFHIQHSKDKB-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-amino-2,2-difluoropropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

210.11798 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.12526 145.7
[M+Na]+ 233.10720 151.5
[M-H]- 209.11070 142.9
[M+NH4]+ 228.15180 163.9
[M+K]+ 249.08114 151.2
[M+H-H2O]+ 193.11524 139.2
[M+HCOO]- 255.11618 164.7
[M+CH3COO]- 269.13183 190.4
[M+Na-2H]- 231.09265 150.2
[M]+ 210.11743 142.8
[M]- 210.11853 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe